2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C18H17N3O3S — CID 2203190

IUPAC2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C18H17N3O3S/c1-13-7-5-6-10-15(13)24-11-16(22)19-18-21-20-17(25-18)12-23-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyQBOSZGKJZNLSBI-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.44
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2203190) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2203190
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C18H17N3O3S/c1-13-7-5-6-10-15(13)24-11-16(22)19-18-21-20-17(25-18)12-23-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyQBOSZGKJZNLSBI-UHFFFAOYSA-N
XLogP3.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 654637
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(5-o-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656178

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 2203190) is 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccccc1OCC(=O)Nc1nnc(COc2ccccc2)s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QBOSZGKJZNLSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-7-5-6-10-15(13)24-11-16(22)19-18-21-20-17(25-18)12-23-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2203190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).